2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,3-dihydrobenzofuran-5-ylmethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(2,3-dihydrobenzofuran-5-ylmethyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(coumaran-5-ylmethyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H19NO4 MolecularWeight: 397.42266

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3C(=C(C4=CC=CC=C4C3=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3C(=C(C4=CC=CC=C4C3=O)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H19NO4/c27-24-20-9-5-4-8-19(20)22(17-6-2-1-3-7-17)23(25(28)29)26(24)15-16-10-11-21-18(14-16)12-13-30-21/h1-11,14H,12-13,15H2,(H,28,29)